SCHEMBL4635644

SCHEMBL4635644

COc1ccc(C)c(Nc2nc3ccccc3nc2-c2ccccc2S(N)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.45
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.43
PIK3CD O00329 3/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4339120 0.89 PIK3CG (0.51) PIK3CGMAPTTP53PIK3CD
SCHEMBL4535440 0.84 MAPT (0.49) MAPTTP53PIK3CD
SCHEMBL3690864 0.83 PIK3CG (0.50) PIK3CGMAPTTP53PIK3CD
SCHEMBL4636003 0.83 PIK3CA (0.56) PIK3CGMAPTTP53PIK3CD
SCHEMBL4337577 0.82 MAPT (0.50) PIK3CGMAPTTP53PIK3CD
SCHEMBL4021236 0.79 L3MBTL1 (0.55) PIK3CGMAPTTP53
SCHEMBL4481357 0.78 MAPT (0.50) MAPTTP53
SCHEMBL4351831 0.78 MEN1 (0.47) MAPTTP53PIK3CD
SCHEMBL2304665 0.76 MAPT (0.52) PIK3CGMAPTTP53
SCHEMBL4341730 0.75 PIK3CD (0.49) PIK3CGMAPTTP53PIK3CD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 EP claimed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO claimed